SCHEMBL14456706

SCHEMBL14456706

Cc1n[nH]cc1CN1CCC(C(=O)N2CCN(Cc3ccccc3Br)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ LMNA P02545 1/20 0.48
▸ FAAH O00519 1/20 0.46
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ RORC P51449 1/20 0.43
▸ DHODH Q02127 1/20 0.43
▸ PHGDH O43175 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL8223139 0.82 TSHR (0.48) TSHRHPGDALDH1A1KDM4ELMNA
SCHEMBL8230258 0.80 TSHR (0.49) TSHRHPGDALDH1A1KDM4ELMNA
SCHEMBL14456691 0.80 TSHR (0.48) TSHRHPGDALDH1A1KDM4ELMNA
SCHEMBL14456685 0.79 ALDH1A1 (0.57) TSHRHPGDALDH1A1KDM4ELMNA
SCHEMBL14456744 0.79 KMT2A (0.56) TSHRALDH1A1KDM4ELMNAKMT2A
SCHEMBL8420394 0.78 KMT2A (0.55) TSHRHPGDALDH1A1KDM4ELMNA
SCHEMBL14469623 0.77 TSHR (0.48) TSHRHPGDALDH1A1KDM4ELMNA
SCHEMBL8223179 0.76 TSHR (0.49) TSHRHPGDALDH1A1KDM4ELMNA
SCHEMBL14456705 0.76 KDM4E (0.53) TSHRHPGDALDH1A1KDM4ELMNA
SCHEMBL8420393 0.76 ALDH1A1 (0.44) TSHRHPGDALDH1A1KDM4ELMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238688-B2 Piperidine compounds SCHERING CORPORATION (US) 2007-07-03 — — US disclosed
US-7238688-B2 Piperidine compounds SCHERING CORPORATION (US) 2007-07-03 — — US disclosed
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