SCHEMBL7408368

SCHEMBL7408368

COc1ccc(N2CCN(C(=O)c3cccc4c5c([nH]c34)CCC(N(C)C)C5)CC2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTR6 P50406 2/20 0.40
TSHR P16473 1/20 0.40
NPY2R P49146 3/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.38
MTNR1B P49286 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MAPK10 P53779 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL7412571 0.82 ALDH1A1 (0.46) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL7408387 0.82 HTR6 (0.40) MAPTSMN1; SMN2HTR6TSHRALDH1A1
SCHEMBL7408410 0.81 GFER (0.43) MAPTHTTNPSR1TSHRALDH1A1
SCHEMBL7411548 0.80 HRH3 (0.40) KMT2AMAPK1GFER
SCHEMBL7409296 0.80 HTR6 (0.41) MAPTHTR6TP53PTGDR2
SCHEMBL7413088 0.79 JAK2 (0.42) MAPTSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL7409117 0.73 GFER (0.59) MAPTKMT2AHTR6MAPK1GFER
Water SCHEMBL7414567 0.72 GFER (0.57) MAPTKMT2AHTR6MAPK1GFER
SCHEMBL7410680 0.72 ALOX15 (0.60) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL7413250 0.72 GFER (0.45) MAPTHTR6MAPK1GFER

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-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed