SCHEMBL19928707

SCHEMBL19928707

CCCC(C)CCCN1CCN(CC)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
USP2 O75604 1/20 0.35
KDM1A O60341 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL21981137 0.88 PAOX (0.39) TSHRGNAI3GNAO1GNAI1USP2
SCHEMBL20227876 0.86 USP2 (0.36) GNAI3GNAO1GNAI1USP2KDM1A
SCHEMBL20850661 0.86 HRH3 (0.44) TSHRGNAI3GNAO1GNAI1MAPK1
SCHEMBL23948364 0.85 KEAP1 (0.42) TSHRGNAI3GNAO1GNAI1SMN1; SMN2
SCHEMBL24723682 0.84 HRH3 (0.48) TSHRMAPK1SMN1; SMN2
SCHEMBL24723810 0.84 HRH3 (0.48) TSHRMAPK1SMN1; SMN2
SCHEMBL11932497 0.81 GBA1 (0.41) GNAI3GNAO1GNAI1KDM1AMAPK1
SCHEMBL26940040 0.81 CXCR4 (0.44) TSHRGNAI3GNAO1GNAI1SMN1; SMN2
SCHEMBL19407025 0.81 KEAP1 (0.47) TSHRUSP2MAPK1KDM4EALDH1A1
SCHEMBL24975389 0.80 GNAI3 (0.37) GNAI3GNAO1GNAI1USP2KDM1A

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-RE50030-E1 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-07-02 US disclosed
US-9908872-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 US disclosed