SCHEMBL29697181

SCHEMBL29697181

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 9/20 0.66
▸ KISS1R Q969F8 4/20 0.62
▸ C5AR1 P21730 2/20 0.62
▸ NTSR2 O95665 1/20 0.58
▸ NTSR1 P30989 1/20 0.58
▸ SORT1 Q99523 1/20 0.58
▸ OPRM1 P35372 2/20 0.57
▸ OPRK1 P41145 2/20 0.57
▸ APLNR P35414 1/20 0.56
▸ MC4R P32245 1/20 0.56
▸ MC5R P33032 1/20 0.56
▸ MC3R P41968 1/20 0.56
▸ MC1R Q01726 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Nerofe SCHEMBL29534410 0.92 CXCR4 (0.62) CXCR4KISS1RC5AR1MC4RMC5R
Nerofe SCHEMBL31146290 0.92 CXCR4 (0.62) CXCR4KISS1RC5AR1MC4RMC5R
SCHEMBL29973459 0.92 TACR1 (0.63) CXCR4KISS1RC5AR1NTSR2NTSR1
SCHEMBL29425245 0.91 GNRHR (0.62) CXCR4KISS1RC5AR1MC4RMC5R
SCHEMBL30867019 0.91 CXCR4 (0.61) CXCR4KISS1RC5AR1NTSR2NTSR1
SCHEMBL31146211 0.91 CXCR4 (0.62) CXCR4KISS1RC5AR1MC4RMC5R
SCHEMBL34470399 0.91 NTSR2 (0.66) CXCR4KISS1RC5AR1NTSR2NTSR1
SCHEMBL31158220 0.90 CXCR4 (0.68) CXCR4C5AR1NTSR2NTSR1SORT1
SCHEMBL3420841 0.90 TACR1 (0.66) CXCR4KISS1RNTSR2NTSR1SORT1
SCHEMBL29761931 0.90 TACR1 (0.66) CXCR4KISS1RNTSR2NTSR1SORT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11851664-B2 Methods for producing biochemicals using enzyme genes derived from a strain of Brevundimonas, and compositions made thereby Oakbio, Inc. (US) 2023-12-26 — — US disclosed
EP-4267551-A1 METHODS FOR PRODUCING BIOCHEMICALS USING ENZYME GENES DERIVED FROM A STRAIN OF BREVUNDIMONAS, AND COMPOSITIONS MADE THEREBY Oakbio Inc. (US) 2023-11-01 — — EP disclosed
WO-2022140493-A1 METHODS FOR PRODUCING BIOCHEMICALS USING ENZYME GENES DERIVED FROM A STRAIN OF BREVUNDIMONAS, AND COMPOSITIONS MADE THEREBY Oakbio, Inc. (US) 2022-06-30 — — WO disclosed
US-20220204979-A1 METHODS FOR PRODUCING BIOCHEMICALS USING ENZYME GENES DERIVED FROM A STRAIN OF BREVUNDIMONAS, AND COMPOSITIONS MADE THEREBY ARCOLOGY INC. (DBA BIOSPHERE) 2022-06-30 — — US disclosed
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